1-[(2-methylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-(o-tolylmethyl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(2-methylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2-methylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 6-keto-1-(2-methylbenzyl)-N-(6-nitro-1,3-benzothiazol-2-yl)nicotinamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-13-4-2-3-5-14(13)11-24-12-15(6-9-19(24)26)20(27)23-21-22-17-8-7-16(25(28)29)10-18(17)30-21/h2-10,12H,11H2,1H3,(H,22,23,27)